1-fluorohept-6-yne-2,5-diamine

C7H13FN2 — CID 15916371

IUPAC1-fluorohept-6-yne-2,5-diamine
SMILESC#CC(N)CCC(N)CF
InChIInChI=1S/C7H13FN2/c1-2-6(9)3-4-7(10)5-8/h1,6-7H,3-5,9-10H2
InChIKeyIZGRRHBQGZGDQH-UHFFFAOYSA-N
MW144.19 g/mol
LogP0.02
Rot. Bonds4

About 1-fluorohept-6-yne-2,5-diamine

1-fluorohept-6-yne-2,5-diamine (PubChem CID 15916371) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 1-fluorohept-6-yne-2,5-diamine.

Molecular Properties

Compound Name1-fluorohept-6-yne-2,5-diamine
PubChem CID15916371
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name1-fluorohept-6-yne-2,5-diamine
SMILESC#CC(N)CCC(N)CF
InChIInChI=1S/C7H13FN2/c1-2-6(9)3-4-7(10)5-8/h1,6-7H,3-5,9-10H2
InChIKeyIZGRRHBQGZGDQH-UHFFFAOYSA-N
XLogP0.02
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-fluorohept-6-yne-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-fluorohept-6-yne-2,5-diamine?
The IUPAC name of 1-fluorohept-6-yne-2,5-diamine (CID 15916371) is 1-fluorohept-6-yne-2,5-diamine.
What is the SMILES notation for 1-fluorohept-6-yne-2,5-diamine?
The canonical SMILES for 1-fluorohept-6-yne-2,5-diamine is C#CC(N)CCC(N)CF.
What is the InChIKey of 1-fluorohept-6-yne-2,5-diamine?
The InChIKey is IZGRRHBQGZGDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2/c1-2-6(9)3-4-7(10)5-8/h1,6-7H,3-5,9-10H2.
What are the key properties of 1-fluorohept-6-yne-2,5-diamine?
1-fluorohept-6-yne-2,5-diamine has a molecular weight of 144.19 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorohept-6-yne-2,5-diamine is sourced from PubChem (CID 15916371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).